Account 1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoyl-4-(2-oxopropyl)pyridin-1-ium
- Catalog No. :
- ACNTCO522
- CAS No. :
- 63293-11-8
- Molecular Formula :
- C24H31N7O15P2
- Molecular Weight :
- 719.49
IUPAC Name:1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoyl-4-(2-oxopropyl)pyridin-1-ium
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Product Information
| Product Name | 1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoyl-4-(2-oxopropyl)pyridin-1-ium |
|---|---|
| IUPAC Name | 1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoyl-4-(2-oxopropyl)pyridin-1-ium |
| Molecular Formula | C24H31N7O15P2 |
| Molecular Weight | 719.49 |
| SMILES | O[C@@H]1[C@H](O)[C@@H](COP(O)(OP([O-])(OC[C@@H]2[C@@H](O)[C@@H](O)[C@]([N+]3=CC=C(CC(C)=O)C(C(N)=O)=C3)(O2)[H])=O)=O)O[C@]1(N4C=NC5=C(N)N=CN=C45)[H] |
| InChI Key | SGHBFOOIAAJJMI-YDKVLQLQSA-N |
| Synonym | Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-4-(2-oxopropyl)-1-β-D-ribofuranosylpyridinium inner salt (9CI) |
| CAS No. | 63293-11-8 |
Synthetic Route by SureRoute
2. ACNTCO522 Molecular Building Block Synthetic Route
1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium, sodium salt
1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium
Nad lithium salt